[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 3-methoxybutanoate

Systemtic Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 3-methoxybutanoate Openeye Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] 3-methoxybutanoate CAS Name: 3-methoxybutanoic acid [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidoimidazolidin-1-ium-2-yl] 3-methoxybutanoate Traditional Name: 3-methoxybutyric acid [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)[N+]2(CCN(C2OC(=O)CC(C)OC)C)[O-]

Isomeric SMILES

CC1=NN=C(S1)[N+]2(CCN(C2OC(=O)CC(C)OC)C)[O-]

InChI

InChI=1S/C12H20N4O4S/c1-8(19-4)7-10(17)20-12-15(3)5-6-16(12,18)11-14-13-9(2)21-11/h8,12H,5-7H2,1-4H3